Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

다중혈관 관상동맥 환자에서 y-문합을 이용하여 양쪽 내흉동맥만을 사용한 우회술의 조기 성적

[신간의 별자리x] 우리/미술, 그리고 ‘슬픔의 박물관’

https://www.tcd.ie/Physics/people/Graham.Cross/SF%20Poster%202011/Schuh-ActaMater07-Mechanical%20behaviour%20of%20amorphous%20alloys.pdf

Mechanical behavior of amorphous alloys

Thin films of single-wall carbon nanotube have been used to create stretchable devices that can be incorporated into clothes and used to detect human motions.

A stretchable carbon nanotube strain sensor for human-motion detection

Prediction of compression buckling load and buckling mode of hat-stiffened panels using artificial neural network

Soft actuators that respond to external stimuli like moisture, magnetism, light, and temperature have received tremendous attention owing to their promising potential in many frontier applications, including smart switches, soft robots, sensors, and artificial muscles. However, most of the conventional actuators can only be triggered by a solo stimulus and demand advanced manufacturing techniques that utilize expensive, hazardous, and synthetic raw materials. Herein, we design and fabricate a multiple stimuli-responsive actuator using graphene oxide, Fe3O4 nanoparticles, and tapioca starch via a water evaporation-induced self-assembly method. The resultant hybrid actuator exhibits a bending speed of ∼72° s-1 upon moisture exposure. Moreover, it can perform clockwise and counterclockwise rotations, linear motion, and magnetic object capture by regulating a magnetic field. As representative examples, the actuator is used to fabricate various smart devices such as smart curtains, biomimetic structures, and a smart gripper that undergo complex and consecutive motion under the influence of multiple stimuli.

Multistimulus-Responsive Graphene Oxide/Fe3O4/Starch Soft Actuators.

Abstract Lithium-ion batteries (LIBs) represent the most promising choice for meeting the ever-growing demand of society for various electric applications, such as electric transportation, portable electronics, and grid storage. Nickel-rich layered oxides have largely replaced LiCoO 2 in commercial batteries because of their low cost, high energy density, and good reliability. Traditional nickel-based oxide particles, usually called polycrystal materials, are composed of microsized primary particles. However, polycrystal particles tend to suffer from pulverization and severe side reactions along grain boundaries during cycling. These phenomena accelerate cell degradation. Single-crystal materials, which exhibit robust mechanical strength and a high surface area, have great potential to address the challenges that hinder their polycrystal counterparts. A comprehensive understanding of the growing body of research related to single-crystal materials is imperative to improve the performance of cathodes in LIBs. This review highlights origins, recent developments, challenges, and opportunities for single-crystal layered oxide cathodes. The synthesis science behind single-crystal materials and comparative studies between single-crystal and polycrystal materials are discussed in detail. Industrial techniques and facilities are also reviewed in combination with our group’s experiences in single-crystal research. Future development should focus on facile production with strong control of the particle size and distribution, structural defects, and impurities to fully reap the benefits of single-crystal materials. Graphical abstract 

https://link.springer.com/content/pdf/10.1007/s41918-022-00166-2.pdf

Single-Crystal Nickel-Based Cathodes: Fundamentals and Recent Advances

Compared to conventional metal-foil strain gauges, nanocomposite piezoresistive strain sensors have demonstrated high strain sensitivity and have been attracting increasing attention in recent years. To fulfil their ultimate success, the performance of vapor growth carbon fiber (VGCF)/epoxy nanocomposite strain sensors subjected to static cyclic loads was evaluated in this work. A strain-equivalent quantity (resistance change ratio) in cantilever beams with intentionally induced notches in bending was evaluated using the conventional metal-foil strain gauges and the VGCF/epoxy nanocomposite sensors. Compared to the metal-foil strain gauges, the nanocomposite sensors are much more sensitive to even slight structural damage. Therefore, it was confirmed that the signal stability, reproducibility, and durability of these nanocomposite sensors are very promising, leading to the present endeavor to apply them for static structural health monitoring.

Cheng Yan

Papers

Prediction of compression buckling load and buckling mode of hat-stiffened panels using artificial neural network

Multistimulus-Responsive Graphene Oxide/Fe3O4/Starch Soft Actuators.

Single-Crystal Nickel-Based Cathodes: Fundamentals and Recent Advances

Performance characterization of VGCF/epoxy nanocomposite sensors under static load cycles and in static structural health monitoring

Effect of nano-scale constraint on the mechanical behaviour of osteopontin–hydroxyapatite interfaces